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Information card for entry 1545740
Preview
Coordinates | 1545740.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H43 F8 I3 N8 |
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Calculated formula | C40 H43 F8 I3 N8 |
SMILES | [I-].Ic1c(F)c(F)c(/N=N/c2ccc(N(C)C)cc2)c(F)c1F.Ic1c(F)c(F)c(/N=N/c2ccc(N(C)C)cc2)c(F)c1F.n1(c[n+](cc1)CCCCCCCC)C |
Title of publication | FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards lightâcontrollable ion transporters |
Authors of publication | Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo |
Journal of publication | Faraday Discuss. |
Year of publication | 2017 |
a | 10.406 ± 0.002 Å |
b | 7.8092 ± 0.0014 Å |
c | 26.717 ± 0.005 Å |
α | 90° |
β | 92.9 ± 0.02° |
γ | 90° |
Cell volume | 2168.3 ± 0.7 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0236 |
Residual factor for significantly intense reflections | 0.0204 |
Weighted residual factors for significantly intense reflections | 0.0439 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545740.html
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Users of the data should acknowledge the original authors of the
structural data.